{4-[(2-Carboxy-2-propanyl)oxy]phenyl}(4-chlorophenyl)methyl hexopyranosiduronic acid
[CAS# 168844-26-6]

Identification

• Name: {4-[(2-Carboxy-2-propanyl)oxy]phenyl}(4-chlorophenyl)methyl hexopyranosiduronic acid
• Synonyms: FENIROFIBRATE O-Î’-D-GLUCURONIDE
• Molecular Formula: C₂₃H₂₅ClO₁₀
• Molecular Weight: 496.89
• CAS Registry Number: 168844-26-6
• SMILES: CC(C)(C(=O)O)Oc1ccc(cc1)C(c2ccc(cc2)Cl)OC3C(C(C(C(O3)C(=O)O)O)O)O
• InChI: 1S/C23H25ClO10/c1-23(2,22(30)31)34-14-9-5-12(6-10-14)18(11-3-7-13(24)8-4-11)32-21-17(27)15(25)16(26)19(33-21)20(28)29/h3-10,15-19,21,25-27H,1-2H3,(H,28,29)(H,30,31)
• InChIKey: MYNDGFQJJNDCJU-UHFFFAOYSA-N

Properties

• Density: 1.534g/cm³ (Cal.)
• Boiling point: 727.622°C at 760 mmHg (Cal.)
• Flash point: 393.851°C (Cal.)
• Refractive index: 1.65 (Cal.)